CID 13288518

1-(2,2,2-trifluoroethyl)-1h-imidazole

Structural Information

Molecular Formula
C5H5F3N2
SMILES
C1=CN(C=N1)CC(F)(F)F
InChI
InChI=1S/C5H5F3N2/c6-5(7,8)3-10-2-1-9-4-10/h1-2,4H,3H2
InChIKey
SIQDXYGMYLVBTA-UHFFFAOYSA-N
Compound name
1-(2,2,2-trifluoroethyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

150.04048 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.047756 123.8
[M+Na]+ 173.029698 133.5
[M-H]- 149.033204 121.1
[M+NH4]+ 168.074303 144.1
[M+K]+ 189.003638 132.0
[M+H-H2O]+ 133.037740 114.9
[M+HCOO]- 195.038681 143.0
[M+CH3COO]- 209.054331 172.9
[M+Na-2H]- 171.015146 130.7
[M]+ 150.03993142 119.9
[M]- 150.04102858 119.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe